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Surfaces and Interfaces at the Nanoscale

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  1. pycp2k pycp2k Public

    Python Cp2k interface

    Python 90 28

  2. PyVAFM PyVAFM Public

    Python Virtual Atomic Force Microscope

    Python 13 1

  3. MutualInformation MutualInformation Public

    Mutual Information codes

    Python 30 8

  4. dscribe dscribe Public

    DScribe is a python package for creating machine learning descriptors for atomistic systems.

    C++ 404 90

  5. matid matid Public archive

    MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers in the automated analysis and labeling of atomistic datasets.

    Python 23 6

  6. Atom_manipulation_with_RL Atom_manipulation_with_RL Public

    Autonomous atom manipulation - in this project, we use deep reinforcement learning algorithms including soft actor-critic, hindsight experience replay, and emphasize recent experience replay to aut…

    Jupyter Notebook 12 1

Repositories

Showing 10 of 43 repositories
  • dscribe Public

    DScribe is a python package for creating machine learning descriptors for atomistic systems.

    SINGROUP/dscribe’s past year of commit activity
    C++ 404 Apache-2.0 90 6 0 Updated Nov 19, 2024
  • ml-spm Public

    Machine learning for scanning probe microscopy

    SINGROUP/ml-spm’s past year of commit activity
    Python 1 MIT 0 5 0 Updated Apr 23, 2024
  • ASD-STM Public

    Automated Structure Discovery for Scanning Tunneling Microscopy

    SINGROUP/ASD-STM’s past year of commit activity
    Python 1 MIT 0 1 0 Updated Apr 22, 2024
  • matid Public archive

    MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers in the automated analysis and labeling of atomistic datasets.

    SINGROUP/matid’s past year of commit activity
    Python 23 Apache-2.0 6 0 0 Updated Nov 28, 2023
  • Runner Public

    Tools to easly schedule atomistic simulation workflow

    SINGROUP/Runner’s past year of commit activity
    Python 1 1 0 0 Updated Nov 8, 2023
  • ProbeParticle_workflow Public

    A workflow for double ProbeParticle method using OpenCL and complex_tip branch of ProbeParticle method

    SINGROUP/ProbeParticle_workflow’s past year of commit activity
    Jupyter Notebook 1 1 0 0 Updated Oct 20, 2023
  • KPFM_sim Public

    A set of Python modules for running DFT level KPFM simulations using CP2k and storing the results to a relational database (SQLite).

    SINGROUP/KPFM_sim’s past year of commit activity
    Python 0 GPL-3.0 0 0 0 Updated Aug 1, 2023
  • KPFM_FEM Public

    This Python package is intended to help running finite element method (FEM) calculations related to modeling the macroscopic part of the KPFM probe and storing the results.

    SINGROUP/KPFM_FEM’s past year of commit activity
    Python 2 GPL-3.0 2 1 0 Updated Jul 26, 2023
  • Graph-AFM Public

    Machine learning molecule graphs from atomic force microscopy images.

    SINGROUP/Graph-AFM’s past year of commit activity
    Python 12 1 0 0 Updated May 25, 2023
  • Atom_manipulation_with_RL Public

    Autonomous atom manipulation - in this project, we use deep reinforcement learning algorithms including soft actor-critic, hindsight experience replay, and emphasize recent experience replay to automatize atom manipulation in the Createc scanning tunneling microscope system.

    SINGROUP/Atom_manipulation_with_RL’s past year of commit activity
    Jupyter Notebook 12 MIT 1 0 0 Updated Mar 6, 2023
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